(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium

C9H12OP+ — CID 150471654

IUPAC(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium
SMILESCC=C1C=CC=CC1[P+](C)=O
InChIInChI=1S/C9H12OP/c1-3-8-6-4-5-7-9(8)11(2)10/h3-7,9H,1-2H3/q+1
InChIKeyWWOUWLPBORGOJL-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.88
Rot. Bonds1

About (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium

(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium (PubChem CID 150471654) has the molecular formula C9H12OP+ and a molecular weight of 167.17 g/mol. Its IUPAC name is (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium.

Molecular Properties

Compound Name(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium
PubChem CID150471654
Molecular FormulaC9H12OP+
Molecular Weight167.17 g/mol
Exact Mass167.06
IUPAC Name(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium
SMILESCC=C1C=CC=CC1[P+](C)=O
InChIInChI=1S/C9H12OP/c1-3-8-6-4-5-7-9(8)11(2)10/h3-7,9H,1-2H3/q+1
InChIKeyWWOUWLPBORGOJL-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
CID 174674334
5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid
CID 175271309
bis(6-ethylidenecyclohexa-2,4-diene-1-carboxylic acid);hexanedioic acid
CID 70442974
(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 163637562
5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene
CID 141234814
4-ethylidenebicyclo[3.2.0]hepta-2,6-diene
CID 57022662
1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine
CID 15113053
(6R)-6-hydroxycyclohexa-2,4-dien-1-one
CID 122227918
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline
CID 175242222
butane;(6E)-2-but-1-en-2-yl-6-ethylidene-5-methylcyclohexa-1,3-diene
CID 144672380
(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
CID 167045938

Frequently Asked Questions

What is the IUPAC name of (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium?
The IUPAC name of (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium (CID 150471654) is (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium.
What is the SMILES notation for (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium?
The canonical SMILES for (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium is CC=C1C=CC=CC1[P+](C)=O.
What is the InChIKey of (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium?
The InChIKey is WWOUWLPBORGOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OP/c1-3-8-6-4-5-7-9(8)11(2)10/h3-7,9H,1-2H3/q+1.
What are the key properties of (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium?
(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium has a molecular weight of 167.17 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium is sourced from PubChem (CID 150471654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).